2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-bis(phenylmethoxy)phenyl]carbonyl-3-nitro-benzoic acid

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-bis(phenylmethoxy)phenyl]carbonyl-3-nitro-benzoic acid Openeye Name: 2-(2,6-dibenzyloxy-4-tert-butoxycarbonyl-benzoyl)-3-nitro-benzoic acid CAS Name: 2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2,6-bis(phenylmethoxy)phenyl]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-bis(phenylmethoxy)benzoyl]-3-nitrobenzoic acid Traditional Name: 2-(2,6-dibenzoxy-4-tert-butoxycarbonyl-benzoyl)-3-nitro-benzoic acid Formula: C33H29NO9 MolecularWeight: 583.58466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H29NO9/c1-33(2,3)43-32(38)23-17-26(41-19-21-11-6-4-7-12-21)29(27(18-23)42-20-22-13-8-5-9-14-22)30(35)28-24(31(36)37)15-10-16-25(28)34(39)40/h4-18H,19-20H2,1-3H3,(H,36,37)